1-[(E)-3-oxidanylideneprop-1-enyl]-6,6-di(pyrimidin-4-yl)-7H-indazole-3-carboxylic acid

Systemtic Name: 1-[(E)-3-oxidanylideneprop-1-enyl]-6,6-di(pyrimidin-4-yl)-7H-indazole-3-carboxylic acid Openeye Name: 1-[(E)-3-oxoprop-1-enyl]-6,6-di(pyrimidin-4-yl)-7H-indazole-3-carboxylic acid CAS Name: 1-[(E)-3-oxoprop-1-enyl]-6,6-bis(4-pyrimidinyl)-7H-indazole-3-carboxylic acid IUPAC Name: 1-[(E)-3-oxoprop-1-enyl]-6,6-di(pyrimidin-4-yl)-7H-indazole-3-carboxylic acid Traditional Name: 1-[(E)-3-ketoprop-1-enyl]-6,6-bis(4-pyrimidyl)-7H-indazole-3-carboxylic acid Formula: C19H14N6O3 MolecularWeight: 374.35286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC1(C3=NC=NC=C3)C4=NC=NC=C4)C(=NN2C=CC=O)C(=O)O

Isomeric SMILES

C1C2=C(C=CC1(C3=NC=NC=C3)C4=NC=NC=C4)C(=NN2/C=C/C=O)C(=O)O

InChI

InChI=1S/C19H14N6O3/c26-9-1-8-25-14-10-19(15-3-6-20-11-22-15,16-4-7-21-12-23-16)5-2-13(14)17(24-25)18(27)28/h1-9,11-12H,10H2,(H,27,28)/b8-1+